Methyl 2-(3-hydroxy-4-iodophenyl)acetate | 609772-18-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: Methyl 2-(3-hydroxy-4-iodophenyl)acetate
• CAS: 609772-18-1
• 化学式: C₉H₉IO₃
• 分子量: 292.073
• InChiKey: DDNHLHGFVDHANG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Methyl 2-(3-hydroxy-4-iodophenyl)acetate 、 3-丁炔-1-醇 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 、 三苯基膦 作用下， 以 甲苯 为溶剂， 生成 2-(2-Hydroxy-ethyl)-6-benzofuranacetic acid methyl ester
  参考文献：
  名称：

  The discovery of tertiary-amine LXR agonists with potent cholesterol efflux activity in macrophages

  摘要：

  The liver X receptors (LXR) play a key role in cholesterol homeostasis and lipid metabolism. SAR studies around tertiary-amine lead molecule 2, an LXR full agonist, revealed that steric and conformational changes to the acetic acid and propanolamine groups produce dramatic effects on agonist efficacy and potency. The new analogs possess good functional activity, demonstrating the ability to upregulate LXR target genes, as well as promote cholesterol efflux in macrophages. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.08.036
• 作为产物：
  描述：

  3-羟基苯乙酸甲酯 在 羟胺 、 碘 、 potassium iodide 作用下， 以 水 为溶剂， 以32%的产率得到Methyl 2-(3-hydroxy-4-iodophenyl)acetate
  参考文献：
  名称：

  The discovery of tertiary-amine LXR agonists with potent cholesterol efflux activity in macrophages

  摘要：

  The liver X receptors (LXR) play a key role in cholesterol homeostasis and lipid metabolism. SAR studies around tertiary-amine lead molecule 2, an LXR full agonist, revealed that steric and conformational changes to the acetic acid and propanolamine groups produce dramatic effects on agonist efficacy and potency. The new analogs possess good functional activity, demonstrating the ability to upregulate LXR target genes, as well as promote cholesterol efflux in macrophages. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.08.036

文献信息

• Compounds and methods
  申请人：Thompson K Scott

  公开号：US20050165045A1

  公开（公告）日：2005-07-28

  Disclosed is a compound of having the formula: pharmaceutically acceptable salts or solvates thereof and pharmaceutical compositions containing the same, wherein the structural variables are as defined herein. The compounds, salts and solvates of this invention are useful as LXR agonists.

  本发明揭示了一种化合物，其具有以下公式：其中结构变量如本文所定义，其药学上可接受的盐或溶剂化物以及含有其的制药组合物。本发明的化合物、盐和溶剂化物可用作LXR激动剂。
• Methods of treatment with lxr modulators
  申请人：Cairns J William

  公开号：US20050171084A1

  公开（公告）日：2005-08-04

  Disclosed are methods of using compounds that modulate LXR.

  揭示了一种使用调节LXR化合物的方法。
• CERTAIN PHARMACEUTICALLY USEFUL SUBSTITUTED AMINOALKYL HETEROCYCLES
  申请人：SmithKline Beecham Corporation

  公开号：EP1490047A2

  公开（公告）日：2004-12-29
• EP1490047A4
  申请人：——

  公开号：EP1490047A4

  公开（公告）日：2006-01-04
• EP1511483A4
  申请人：——

  公开号：EP1511483A4

  公开（公告）日：2009-03-18